Basic information
- CAS
85-36-9- Standard SMILES
CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I- InChIKey
GNOGSFBXBWBTIG-UHFFFAOYSA-N- Molecular formula
- C9H6I3NO3
- Average molar mass
- 556.86 g/mol
- Monoisotopic mass
- 556.7482
Overview
Acetrizoic acid is an aminobenzoic acid.
Names & identifiers
- Preferred name
- Acetrizoic Acid
- IUPAC
- 3-acetamido-2,4,6-triiodobenzoic acid
- English name
- Acetrizoic acid
- Molecular formula
- C9H6I3NO3
- Molecular weight
- 556.86
Names & synonyms
Acetrizoic acid85-36-9Urokonic acidAcetrizoate3-(Acetylamino)-2,4,6-triiodobenzoic acidBenzoic acid, 3-(acetylamino)-2,4,6-triiodo-DTXSID20225493-acetamido-2,4,6-triiodo-benzoic acidNSC-75868124256BQV7MDTXCID002549Acid, Acetrizoic
Show more names
urokonicacidAcetrizoic Acid >Acetrizoic acid USP/EP/BPAcetrizoic acid, 10 mM in DMSOAcetrizoic acid,Inhibitor,inhibit
RefChem:5524413-Acetamido-2,4,6-triiodobenzoic acidOpacaronUrokonAcetrizoesaeureACETRIAZOIC ACID2,4,6-TRIIODO-3-ACETAMIDOBENZOIC ACIDMFCD00016495
Database identifiers
- CAS
85-36-9- PubChem CID
- 6806
- DTXSID
DTXSID2022549- ChEMBL
CHEMBL1201327- ChEBI
CHEBI:34521- UNII
- 24256BQV7M
- EC Number
- 201-600-7
- Nikkaji
- J4.917D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
SolubilitySoluble
Physicochemical properties
- Melting point
- 280 · 280-280.5 °C (decomp)
- Boiling point
- 547.1 · 547.1±50.0 °C(Predicted)
- Density
- 2.5688 · 2.5688 (estimate)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- It is soluble in alcohol, slightly soluble in ether and water, very slightly soluble in chloroform and practically insoluble in benzene.
- form
- powder to crystal
- pka
- 1.13 · 1.13±0.10(Predicted)
- color
- White power
- Water Solubility
- 1.28 g/L · 1.28g/L(25 ºC)
- CAS DataBase Reference
- 85 · 85-36-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 24256 BQV7M · 24256BQV7M
- ATC code
- 8 AA07 · V08AA07
- NIST Chemistry Reference
- 3 · 3-Acetamido-2,4,6-triiodobenzoic acid(85-36-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RTECS
- 887000 · DG0887000
- HS Code
- 2924.29 · 2924.29.7790
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 20 g/kg FRPSAX 18,33,63
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Other Safety InformationIMAP assessments - Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- rtecs
- DG0887000
- hs_code
- 2924.29.7790
- Toxicity
- LD50 orl-mus: 20 g/kg FRPSAX 18,33,63
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Pharmacology
ATC Code
V - Various
QV - Various
Protein BindingThe radiographic agents such as acetrizoic acid are carried free in plasma in which less than 5% of the injected dose is protein bound.
Mechanism of Action
Iodine, a big component in acetrizoic acid, is an element with a high atomic density. This property causes attenuation of X-rays within the diagnostic energy spectrum. Thus, acetrizoic acid is a water-soluble and reasonably safe iodinated contrast agent that can be intravenously administered for clinical applications.
Biological Half-LifeWhen water-soluble contrast agents, such as acetrizoic acid, are administered, it is reported a half-life of approximate 4 hours.
Metabolism/MetabolitesThe majority of the administered dose of acetrizoic acid remains unchanged.
MeSH Pharmacological ClassificationSubstances used to allow enhanced visualization of tissues.
Absorption, Distribution and Excretion
After intravenous administration, acetrizoic acid gets largely distributed in the extracellular fluid space. Radiographic agents like acetrizoic agents present variations in the plasma concentration depending on the dose and injection rate. After 5 minutes of administration, about 80% of the administered dose will stay outside of the intravascular compartment. There are some exceptions to the diffusion, such as the brain, neural tissue and testes where the tight junctions do not allow extravascularization.
After intravenous administration, acetrizoic acid is mainly excreted unchanged by the kidney. The elimination pathway is handled by a glomerular filtration and concentration by tubular resorption of water. The excreted dose is of about 83% of the administered dose after 3 hours and of about 100% at 24 hours.
Applications
UsesRadiopaque agent: Acetrizoic acid (trade names Gastrografina, Urografina in Portugal) is a palatable lemon-flavored water-soluble iodinated radiopaque X-ray contrast medium for oral or rectal administration only. Acetrizoic acid is indicated for radiographic examination of segments of the gastrointestinal tract (esophagus, stomach, proximal small intestine, and colon). The preparation is particularly indicated when a more viscous agent such as barium sulfate, which is not water-soluble, is not feasible or is potentially dangerous. Administration of hypertonic Gastrografin solutions may lead to hypovolemia and hypotension due to fluid loss from the intestine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers52 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
合肥胜航医药科技有限公司19156016681 18326946292 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
ChemeGen 中国18818260767 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
亚化进出口（江苏）有限公司+8615105181882 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
山东宜仁药业有限公司531-87922518 15628888630 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
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上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
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爱必信（上海）生物科技有限公司13761418683 · [email protected]
Musechem+1-800-259-7612 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
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Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Additional notes
DefinitionChEBI: Acetrizoic acid is an aminobenzoic acid.
Related reactions
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Compound notes
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